SCHEMBL6532341

SCHEMBL6532341

N#Cc1ccc(Cc2ccccc2N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.48
CYP2A6 P11509 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
TSHR P16473 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
MAPT P10636 1/20 0.41
MAOB P27338 3/20 0.41
HRH3 Q9Y5N1 1/20 0.40
NSD2 O96028 1/20 0.40
MAOA P21397 2/20 0.40
IDO1 P14902 2/20 0.40
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KIF11 P52732 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6804939 0.79 KDM4E (0.45) LOXL2CYP11B1CYP11B2TSHRMAOB
SCHEMBL29372857 0.78 CYP3A4 (0.56) LOXL2CYP11B1CYP11B2TSHRMAOB
SCHEMBL39484 0.78 CYP3A4 (0.56) LOXL2CYP11B1CYP11B2TSHRMAOB
SCHEMBL15445886 0.78 SLC5A2 (0.46) LOXL2CYP2A6CYP11B1CYP11B2TSHR
SCHEMBL2585010 0.78 KEAP1 (0.63) LOXL2CYP2A6CYP11B1CYP11B2TSHR
SCHEMBL542553 0.78 HTR2A (0.56) LOXL2MAOBMAOASMN1; SMN2
SCHEMBL18203488 0.76 CYP3A4 (0.54) LOXL2CYP11B1CYP11B2TSHRMAOB
4,4'-Methylenedianiline SCHEMBL5189841 0.76 CYP3A4 (0.61) LOXL2CYP11B1CYP11B2TSHRMAOB
SCHEMBL854445 0.76 TSHR (0.59) LOXL2CYP2A6TSHRSAE1UBA2
Nitrogen SCHEMBL27535571 0.76 POLB (0.41) CYP2A6TSHRMAPTSLC6A2SLC6A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043313-A1 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2005-02-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050043313-A1 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade TFPI, TFPI2, PLAT LOXL2 1640/4885CYP2A6 690/4885CYP11B1 1588/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.